N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

C20H19F2N3 — CID 58024867

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESFc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1F
InChIInChI=1S/C20H19F2N3/c21-18-5-4-14(10-19(18)22)12-25-9-7-16(13-25)24-20-3-1-2-15-11-23-8-6-17(15)20/h1-6,8,10-11,16,24H,7,9,12-13H2
InChIKeyVJYGNJSBJKAJBO-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.20
Rot. Bonds4

About N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 58024867) has the molecular formula C20H19F2N3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID58024867
Molecular FormulaC20H19F2N3
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESFc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1F
InChIInChI=1S/C20H19F2N3/c21-18-5-4-14(10-19(18)22)12-25-9-7-16(13-25)24-20-3-1-2-15-11-23-8-6-17(15)20/h1-6,8,10-11,16,24H,7,9,12-13H2
InChIKeyVJYGNJSBJKAJBO-UHFFFAOYSA-N
XLogP4.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenol
CID 44598899
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 10245294
N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 11722582
N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine
CID 21098440
N-[(3R)-1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 59799777
N-[1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 57479975
1-[4-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]propan-2-one
CID 59159098
N-[[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methyl]acetamide
CID 58022467
methyl 3-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]benzoate
CID 71465019
N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024836
N-[5-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]-2-methylphenyl]ethanesulfonamide
CID 58024882
2-[6-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]indol-1-yl]acetaldehyde
CID 143919542

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (CID 58024867) is N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1F.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is VJYGNJSBJKAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3/c21-18-5-4-14(10-19(18)22)12-25-9-7-16(13-25)24-20-3-1-2-15-11-23-8-6-17(15)20/h1-6,8,10-11,16,24H,7,9,12-13H2.
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 339.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 58024867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).